SCHEMBL2209281

SCHEMBL2209281

COc1ccc([N+](=O)[O-])cc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 1/20 0.49
HTT P42858 3/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
TTR P02766 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2209277 1.00 ALDH1A1 (0.56) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL18147565 0.82 ALDH1A1 (0.60) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL18147563 0.82 ALDH1A1 (0.60) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL1028889 0.82 L3MBTL1 (0.49) ALDH1A1TDP1HTTL3MBTL1POLB
SCHEMBL1028886 0.82 L3MBTL1 (0.49) ALDH1A1TDP1HTTL3MBTL1POLB
SCHEMBL16735812 0.81 ALDH1A1 (0.44) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL17099460 0.81 ALDH1A1 (0.44) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL3509381 0.81 ALDH1A1 (0.46) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL3509375 0.81 ALDH1A1 (0.46) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL20302746 0.79 ALDH1A1 (0.40) ALDH1A1TDP1HTTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 ALDH1A1 378/4885TDP1 2117/4885HTT 3429/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.